3-[2-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]-2H-phthalazine-1,4-dione

Systemtic Name: 3-[2-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]-2H-phthalazine-1,4-dione Openeye Name: 3-[2-[4-(o-tolylmethyl)-1,4-diazepan-1-yl]-2-oxo-ethyl]-2H-phthalazine-1,4-dione CAS Name: 3-[2-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]-2H-phthalazine-1,4-dione IUPAC Name: 3-[2-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]-2H-phthalazine-1,4-dione Traditional Name: 3-[2-keto-2-[4-(2-methylbenzyl)-1,4-diazepan-1-yl]ethyl]-2H-phthalazine-1,4-quinone Formula: C23H26N4O3 MolecularWeight: 406.47754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCCN(CC2)C(=O)CN3C(=O)C4=CC=CC=C4C(=O)N3

Isomeric SMILES

CC1=CC=CC=C1CN2CCCN(CC2)C(=O)CN3C(=O)C4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C23H26N4O3/c1-17-7-2-3-8-18(17)15-25-11-6-12-26(14-13-25)21(28)16-27-23(30)20-10-5-4-9-19(20)22(29)24-27/h2-5,7-10H,6,11-16H2,1H3,(H,24,29)